3-[(2,4-dichlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole

Formula:C16H10N4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(2,4-dichlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole is a drug-like molecule.

MolName	3-[(2,4-dichlorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
MolecularFormula	C16H10N4Cl2S
Smiles	Clc1cc(Cl)c(CSc2nnc(c(cccc3)c3[nH]3)c3n2)cc1
InChI	InChI=1S/C16H10Cl2N4S/c17-10-6-5-9(12(18)7-10)8-23-16-20-15-14(21-22-16)11-3-1-2-4-13(11)19-15/h1-7H,8H2,(H,19,20,22)
InChIK	BOOBOFHIQQHKGE-UHFFFAOYSA-N
TotalMolweight	361.255
Molweight	361.255
MonoisotopicMass	360.00032
CLogP	4.4447
CLogS	-6.597
H Acceptors	4
H Donors	1
TotalSurfaceArea	250.16
Relative PSA	0.2574
PolarSurfaceArea	79.76
Druglikeness	-0.072502
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Aromatic Nitrogens	4
StereoCon

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